Molecule FYI-1016779

A

Molecule Summary:

ID: FYI-1016779
Names:
InChIKey: HTWGQFFTGJGRJN-CSYZDTNESA-N
SMILES: CSCC[C@H](NC=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

Received at FYIcenter.com on: 2026-03-12

Molecule ID: FYI-1016779 Edit

Molecule Structure InChIKey: HTWGQFFTGJGRJN-CSYZDTNESA-N

Molecule Structure SMILES String: CSCC[C@H](NC=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016779
FYIcenter.com

 85 85  0  0  1  0  0  0  0  0999 V2000
   14.5492   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   16.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   20.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016779-3D
FYIcenter.com

186186  0  0  1  0  0  0  0  0999 V2000
   17.4845    4.1133   -4.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8409    2.4265   -4.0186 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.2893    2.8224   -3.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4447    1.5653   -2.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1189    1.9026   -2.2484 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4088    0.6746   -1.8887 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5726    0.6201   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3305    1.5701   -0.0738 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2018    2.7858   -3.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3807    2.9335   -4.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1717    3.3876   -2.4244 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2781    4.3787   -3.0354 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8330    4.1474   -2.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7738    5.0456   -3.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3524    4.7802   -2.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8081    5.8425   -2.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6897    8.5718    0.2685 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8221    7.7708   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2857    8.3829   -1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5875    8.8828   -1.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0619   10.1012    0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2016   10.9578    0.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3610   10.4463    0.7704 N   0  0  0  0  0  0  0  0  0  0  0  0
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   27.9718   12.0871    1.6165 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9121   15.4396    4.6944 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9899   16.6879    4.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4934   16.4160    4.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6422   17.6908    4.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9435   15.5519    3.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9281   14.8546    6.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3874   15.5390    7.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2331   13.6474    6.4546 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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